6G4O

Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1

Summary for 6G4O

Entry DOI	10.2210/pdb6g4o/pdb
Descriptor	Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid, ... (9 entities in total)
Functional Keywords	acetylcholinesterase, tabun, nerve agent, hydrolase
Biological source	Tetronarce californica (Pacific electric ray)
Total number of polymer chains	2
Total formula weight	124058.96
Authors	Santoni, G.,De la Mora, E.,de Souza, J.,Silman, I.,Sussman, J.,Baati, R.,Weik, M.,Nachon, F. (deposition date: 2018-03-28, release date: 2018-08-29, Last modification date: 2024-01-17)
Primary citation	Santoni, G.,de Sousa, J.,de la Mora, E.,Dias, J.,Jean, L.,Sussman, J.L.,Silman, I.,Renard, P.Y.,Brown, R.C.D.,Weik, M.,Baati, R.,Nachon, F. Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61:7630-7639, 2018 Cited by PubMed: 30125110 DOI: 10.1021/acs.jmedchem.8b00592 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.78 Å)

Structure validation